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BDBM16791 3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-pyrazolo[3,4-c]pyridin-5-yl}pyridine::pyrazolopyridine analog, 9i

SMILES: Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1

InChI Key: InChIKey=BJQFSJIVYSQLSX-KRWDZBQOSA-N

Data: 3 IC50

Find this compound or compounds like it in BindingDB or PDB:
   Substructure
Similarity at least:  must be >=0.5
Exact match

Activity Spreadsheet -- Enzyme Inhibition Constant Data from BindingDB

Found 3 hits for monomerid = 16791   
Target/Host
(Institution)
LigandTarget/Host
Links
Ligand
Links
Trg + Lig
Links
Ki
nM
ΔG°
kcal/mole
IC50
nM
Kd
nM
EC50/IC50
nM
koff
s-1
kon
M-1s-1
pHTemp
°C
Protein kinase B (Akt 1)


(Homo sapiens (Human))
BDBM16791
PNG
(3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-py...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C21H21N5O/c1-14-19-9-20(24-12-21(19)26-25-14)16-8-18(11-23-10-16)27-13-17(22)7-15-5-3-2-4-6-15/h2-6,8-12,17H,7,13,22H2,1H3,(H,25,26)/t17-/m0/s1
PDB
MMDB

B.MOAD
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 25n/an/an/an/a7.522



Abbott Laboratories



Assay Description
The kinase assay uses His-Akt1 and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidin-coated FLASH plat...


Bioorg Med Chem 15: 2441-52 (2007)


Article DOI: 10.1016/j.bmc.2007.01.010
BindingDB Entry DOI: 10.7270/Q26Q1VGQ
More data for this
Ligand-Target Pair
RAC-alpha serine/threonine-protein kinase AKT1


(Homo sapiens (Human))
BDBM16791
PNG
(3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-py...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C21H21N5O/c1-14-19-9-20(24-12-21(19)26-25-14)16-8-18(11-23-10-16)27-13-17(22)7-15-5-3-2-4-6-15/h2-6,8-12,17H,7,13,22H2,1H3,(H,25,26)/t17-/m0/s1
PDB

UniProtKB/SwissProt

antibodypedia
GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 14n/an/an/an/an/an/a



Zhejiang University

Curated by ChEMBL


Assay Description
Inhibition of Akt


Eur J Med Chem 44: 4090-7 (2009)


Article DOI: 10.1016/j.ejmech.2009.04.050
BindingDB Entry DOI: 10.7270/Q2GT5N74
More data for this
Ligand-Target Pair
cAMP-Dependent Protein Kinase (PKA)


(Bos taurus (bovine))
BDBM16791
PNG
(3-[(2S)-2-amino-3-phenylpropoxy]-5-{3-methyl-1H-py...)
Show SMILES Cc1n[nH]c2cnc(cc12)-c1cncc(OC[C@@H](N)Cc2ccccc2)c1 |r|
Show InChI InChI=1S/C21H21N5O/c1-14-19-9-20(24-12-21(19)26-25-14)16-8-18(11-23-10-16)27-13-17(22)7-15-5-3-2-4-6-15/h2-6,8-12,17H,7,13,22H2,1H3,(H,25,26)/t17-/m0/s1
PDB

UniProtKB/SwissProt

GoogleScholar
AffyNet 
PC cid
PC sid
UniChem

Patents

Article
PubMed
n/an/a 32n/an/an/an/an/an/a



Abbott Laboratories



Assay Description
The kinase assay uses purified recombinant enzyme and a biotinylated peptide as substrate. The biotinylated peptides were immobilized on streptavidi...


Bioorg Med Chem 15: 2441-52 (2007)


Article DOI: 10.1016/j.bmc.2007.01.010
BindingDB Entry DOI: 10.7270/Q26Q1VGQ
More data for this
Ligand-Target Pair